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Compile Data Set for Download or QSAR

Found 2 hits of ec50 data for polymerid = 3993   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epithelial discoidin domain-containing receptor 1


(Homo sapiens)
BDBM104010
PNG
(DDR1-IN-2)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NCc3cnc4[nH]ccc4c3OC)c2)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-4-39-11-13-40(14-12-39)19-22-7-6-21(15-26(22)31(32,33)34)30(41)38-24-8-5-20(2)27(16-24)36-17-23-18-37-29-25(9-10-35-29)28(23)42-3/h5-10,15-16,18,36H,4,11-14,17,19H2,1-3H3,(H,35,37)(H,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Massachusetts General Hospital and Harvard Medical School



Assay Description
The enzyme kinase assay was carried out using the Lanthascreen technology.


Citation and Details
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens)
BDBM104009
PNG
(DDR1-IN-1)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc4NC(=O)Cc4c3)c2)CC1
Show InChI InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
n/an/an/an/a 86n/an/an/an/a



Massachusetts General Hospital and Harvard Medical School



Assay Description
The enzyme kinase assay was carried out using the Lanthascreen technology.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)